N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide

C19H19ClN4O3S — CID 7424315

IUPACN-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
SMILESCc1cnc2c(c1SCC(=O)NCc1ccccc1Cl)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H19ClN4O3S/c1-11-8-22-17-15(18(26)24(3)19(27)23(17)2)16(11)28-10-14(25)21-9-12-6-4-5-7-13(12)20/h4-8H,9-10H2,1-3H3,(H,21,25)
InChIKeyXJXSHFOJFZRCCI-UHFFFAOYSA-N
MW418.91 g/mol
LogP2.00
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide

N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide (PubChem CID 7424315) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
PubChem CID7424315
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
SMILESCc1cnc2c(c1SCC(=O)NCc1ccccc1Cl)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H19ClN4O3S/c1-11-8-22-17-15(18(26)24(3)19(27)23(17)2)16(11)28-10-14(25)21-9-12-6-4-5-7-13(12)20/h4-8H,9-10H2,1-3H3,(H,21,25)
InChIKeyXJXSHFOJFZRCCI-UHFFFAOYSA-N
XLogP2.00
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 18585405
N-naphthalen-1-yl-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 18585279
2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 41084970
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517821
N-(4-fluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 7424287
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 18585335
N-(oxolan-2-ylmethyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 44827563
4-[[2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzamide
CID 18585301
N-(5-chloro-2-methoxyphenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 18585332
N-tert-butyl-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 7424373
2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 44827593
2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 26844494

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide (CID 7424315) is N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide is Cc1cnc2c(c1SCC(=O)NCc1ccccc1Cl)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide?
The InChIKey is XJXSHFOJFZRCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-11-8-22-17-15(18(26)24(3)19(27)23(17)2)16(11)28-10-14(25)21-9-12-6-4-5-7-13(12)20/h4-8H,9-10H2,1-3H3,(H,21,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide?
N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide has a molecular weight of 418.91 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide is sourced from PubChem (CID 7424315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).